3,5-Dimethyl-4-methoxyphenylboronic acid

Base Information

• Chemical Name: 3,5-Dimethyl-4-methoxyphenylboronic acid
• CAS No.: 301699-39-8
• Molecular Formula: C9H13BO3
• Molecular Weight: 180.011
• Hs Code.: 29319090
• European Community (EC) Number: 627-465-8
• DSSTox Substance ID: DTXSID20396836
• Nikkaji Number: J1.928.794G
• Wikidata: Q72470864
• Mol file: 301699-39-8.mol

Synonyms:3,5-Dimethyl-4-methoxyphenylboronic acid;301699-39-8;(4-methoxy-3,5-dimethylphenyl)boronic acid;3,5-Dimethyl-4-methoxybenzeneboronic acid;4-Methoxy-3,5-dimethylphenylboronic acid;Boronic acid, (4-methoxy-3,5-dimethylphenyl)-;4-METHOXY-3,5-DIMETHYLBENZENEBORONIC ACID;3,5-Dimethyl-4-methoxyphenylboronicacid;SCHEMBL11447;DTXSID20396836;WZUCSPWZHRVOSD-UHFFFAOYSA-N;MFCD01114648;AKOS004116145;AB08315;CS-W017241;AS-55600;3,5-dimethyl-4-methoxy-phenylboronic acid;3,5-dimethyl-4-methoxybenzene boronic acid;FT-0644374;M2685;N11930;EN300-6971757;3,5-Dimethyl-4-methoxyphenylboronic acid, >=95%;A820247;J-511351

Chemical Property of 3,5-Dimethyl-4-methoxyphenylboronic acid

Chemical Property:

• Vapor Pressure: 4.6E-05mmHg at 25°C
• Melting Point: 235-240 °C(lit.)
• Refractive Index: 1.517
• Boiling Point: 335.804 °C at 760 mmHg
• PKA: 9.08±0.11(Predicted)
• Flash Point: 156.889 °C
• PSA: 49.69000
• Density: 1.11 g/cm³
• LogP: -0.00820
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: soluble in Methanol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 180.0957744
• Heavy Atom Count: 13
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

3,5-Dimethyl-4-methoxyphenylboronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=C(C(=C1)C)OC)C)(O)O
• Uses: Reactant for:? ;Preparation of biologically and pharmacologically active molecules1,2? ;Suzuki and Stille cross-coupling reaction3? ;Mizoroki-Heck arylation4? ;Baeyer-Villiger oxidation5? ;Rhodium-catalyzed asymmetric conjugate addition reactions6 suzuki reaction Reactant for:Preparation of biologically and pharmacologically active moleculesSuzuki and Stille cross-coupling reactionMizoroki-Heck arylationBaeyer-Villiger oxidationRhodium-catalyzed asymmetric conjugate addition reactions

Technology Process of 3,5-Dimethyl-4-methoxyphenylboronic acid

There total 8 articles about 3,5-Dimethyl-4-methoxyphenylboronic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

C27H33B3O8 (1016971-65-5) → (4-methoxy-3,5-dimethylphenyl)boronic acid (301699-39-8) + 3,4,5-trimethoxyphenylboronic Acid (182163-96-8)

Guidance literature:

With water; at 25 ℃; Equilibrium constant;

Reference yield:

C27H33B3O10 (1016971-67-7) → (4-methoxy-3,5-dimethylphenyl)boronic acid (301699-39-8) + 3,4,5-trimethoxyphenylboronic Acid (182163-96-8)

Guidance literature:

With water; at 25 ℃; Equilibrium constant;

Reference yield:

C26H31B3O5 (1016971-57-5) → (4-methoxy-3,5-dimethylphenyl)boronic acid (301699-39-8) + 3,5-dimethylphenyl boronic acid (172975-69-8)

Guidance literature:

With water; at 25 ℃; Equilibrium constant;

upstream raw materials:

C₂₆H₃₁B₃O₅

C₂₅H₂₉B₃O₄

C₃₉H₅₇B₃O₆

C₃₃H₄₅B₃O₆

Downstream raw materials:

C₂₅H₂₉B₃O₄

C₂₆H₃₁B₃O₅

tris(3.5-dimethyl phenyl)boroxine

tris(4-methoxy-3.5-dimethyl phenyl)boroxine